SCHEMBL9019965

SCHEMBL9019965

COC(=O)C(O)c1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
ACP3 P15309 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
KDM5A P29375 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AOC3 Q16853 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9432428 1.00 KMT2A (0.47) KMT2AACP3PTGS1PTGS2KDM5A
SCHEMBL3682275 0.89 KMT2A (0.53) KMT2APTGS1PTGS2MEN1LMNA
SCHEMBL9136495 0.84 MMP8 (0.44) ACP3
SCHEMBL12707192 0.84 KMT2A (0.48) KMT2AACP3PTGS1PTGS2MEN1
SCHEMBL29484096 0.82 PTGS1 (0.62) KMT2AACP3PTGS1PTGS2MEN1
SCHEMBL1653533 0.82 PTGS1 (0.62) KMT2AACP3PTGS1PTGS2MEN1
SCHEMBL1492817 0.82 PTGS1 (0.62) KMT2AACP3PTGS1PTGS2MEN1
SCHEMBL5285167 0.82 HIF1A (0.49) KMT2APTGS1PTGS2MEN1LMNA
SCHEMBL9158042 0.82 KMT2A (0.47) KMT2APTGS1PTGS2MEN1HSD17B10
SCHEMBL9158035 0.82 KMT2A (0.47) KMT2APTGS1PTGS2MEN1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118218027-A Application of polydentate ligand/ruthenium catalyst and method for preparing diol compound by hydrogenation reaction of alpha-hydroxy ester 郑州大学 2024-06-21 CN claimed
CN-118218027-A Application of polydentate ligand/ruthenium catalyst and method for preparing diol compound by hydrogenation reaction of alpha-hydroxy ester 郑州大学 2024-06-21 CN disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
EP-0422597-B1 Derivatives of phenylacetic acid and fungicides containing them BASF AG (DE) 1996-07-24 EP disclosed
US-5286750-A For crops or ornamental plants BASF AKTIENGESELLSCHAFT (DE) 1994-02-15 US disclosed
EP-0422597-A2 Derivatives of phenylacetic acid and fungicides containing them BASF Aktiengesellschaft (DE) 1991-04-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 KMT2A 2009/4885ACP3 4754/4885PTGS1 1141/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 KMT2A 1817/4885ACP3 4780/4885PTGS1 946/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.